N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide (CAS 392302-96-4) is a chemical compound with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
Also Known As: F0417-1911, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethyl-benzamide
| Molecular Formula | C18H16BrN3OS2 |
|---|---|
| Molecular Weight | 432.99 g/mol |
| LogP | 5.46204 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.99182 |
| Heavy Atoms | 25 |
| Complexity | 893.59174 |
Chemical Identifiers
| CAS Number | 392302-96-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)C |
Product Overview
N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide (CAS 392302-96-4), with molecular formula C18H16BrN3OS2 and molecular weight 432.99 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
The XLogP value of 5.46204 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide is 392302-96-4.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide is C18H16BrN3OS2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide is 432.99 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.